SCHEMBL12879946

SCHEMBL12879946

CCC(C)OC(=O)c1cc2occc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.54
▸ KDM4E B2RXH2 4/20 0.42
▸ LMNA P02545 3/20 0.42
▸ TP53 P04637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GABRA1 P14867 3/20 0.41
▸ GABRG2 P18507 3/20 0.41
▸ GABRB3 P28472 3/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ GABRA3 P34903 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ GABRA6 Q16445 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ ADORA2B P29275 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12864275 0.88 DAO (0.55) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12863898 0.87 DAO (0.51) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864273 0.86 DAO (0.59) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL1171473 0.86 DAO (0.59) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12903514 0.85 DAO (0.58) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL13495514 0.84 DAO (0.47) DAOGABRA1GABRG2GABRB3GABRA5
SCHEMBL12864259 0.84 DAO (0.48) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864274 0.83 DAO (0.56) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12864361 0.83 DAO (0.56) DAOKDM4ELMNATP53L3MBTL1
SCHEMBL12863886 0.83 DAO (0.56) DAOKDM4ELMNATP53L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-02-10 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110034434-A1 PRODRUGS OF FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, AOC1 DAO 2/4885KDM4E 2574/4885LMNA 4705/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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